18-O-alpha-L-arabinopyranosymanoyl oxide

18-O-alpha-L-arabinopyranosymanoyl oxide

Common Name: 18-O-alpha-L-arabinopyranosymanoyl oxide

Synonyms: 18-O-alpha-L-arabinopyranosymanoyl oxide

CAS Registry Number:

InChI: InChI=1S/C25H42O6/c1-6-23(3)12-8-18-24(4)11-7-10-22(2,17(24)9-13-25(18,5)31-23)15-30-21-20(28)19(27)16(26)14-29-21/h6,16-21,26-28H,1,7-15H2,2-5H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25+/m0/s1

InChIKey: InChIKey=WODKDJPHUGKWRL-HQWQLLSXSA-N

Formula: C25H42O6

Molecular Weight: 438.598339

Exact Mass: 438.298139

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ybarra, M.I., Popich, S., Borkosky, S.A., Asakawa, Y., Bardon, A. J Nat Prod (2005) 68, 554-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 36
2 (CH2) 17.7
3 (CH2) 38.5
4 (C) 36.9
5 (CH) 50.7
6 (CH2) 19.8
7 (CH2) 42.8
8 (C) 74.9
9 (CH) 55.8
10 (C) 37.1
11 (CH2) 15.3
12 (CH2) 35.8
13 (C) 73.3
14 (CH) 147.8
15 (CH2) 110.3
16 (CH3) 28.3
17 (CH3) 25.4
18 (CH2) 79.3
19 (CH3) 17.2
20 (CH3) 15.8
1' (CH) 102.7
2' (CH) 71.1
3' (CH) 72.2
4' (CH) 66.7
5' (CH2) 63.9